2-chloranyl-4-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 2-chloranyl-4-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 2-chloro-4-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]pyrimidine-5-carbonitrile CAS Name: 2-chloro-4-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-5-pyrimidinecarbonitrile IUPAC Name: 2-chloro-4-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]pyrimidine-5-carbonitrile Traditional Name: 2-chloro-4-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]pyrimidine-5-carbonitrile Formula: C13H9ClN6O2 MolecularWeight: 316.70256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(NC2=NC(=NC=C2C#N)Cl)N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NC2=NC(=NC=C2C#N)Cl)\N=O)/NO

InChI

InChI=1S/C13H9ClN6O2/c14-13-16-7-9(6-15)11(18-13)17-12(20-22)10(19-21)8-4-2-1-3-5-8/h1-5,7,19,21H,(H,16,17,18)/b12-10+